ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate

C30H29N3O3 — CID 66665337

About ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate

ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate (PubChem CID 66665337) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate.

Molecular Properties

• Compound Name: ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate
• PubChem CID: 66665337
• Molecular Formula: C30H29N3O3
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.22
• IUPAC Name: ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate
• SMILES: CCOC(=O)COc1cccc(CN2CCCc3nc(-c4ccccc4)c(-c4ccccc4)nc32)c1
• InChI: InChI=1S/C30H29N3O3/c1-2-35-27(34)21-36-25-16-9-11-22(19-25)20-33-18-10-17-26-30(33)32-29(24-14-7-4-8-15-24)28(31-26)23-12-5-3-6-13-23/h3-9,11-16,19H,2,10,17-18,20-21H2,1H3
• InChIKey: BOKGSXHMLDPHIN-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate?

The IUPAC name of ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate (CID 66665337) is ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate.

What is the SMILES notation for ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate?

The canonical SMILES for ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate is CCOC(=O)COc1cccc(CN2CCCc3nc(-c4ccccc4)c(-c4ccccc4)nc32)c1.

What is the InChIKey of ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate?

The InChIKey is BOKGSXHMLDPHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-2-35-27(34)21-36-25-16-9-11-22(19-25)20-33-18-10-17-26-30(33)32-29(24-14-7-4-8-15-24)28(31-26)23-12-5-3-6-13-23/h3-9,11-16,19H,2,10,17-18,20-21H2,1H3.

What are the key properties of ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate?

ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate has a molecular weight of 479.58 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[3-[(2,3-diphenyl-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-5-yl)methyl]phenoxy]acetate is sourced from PubChem (CID 66665337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).